# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/bd0e8671-130e-4752-977e-3e42246c11cb/download)

## Creator

[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)

## Rights

Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[Ab-initio phonon calculation for InSe / C2/m (12) / materials id 21405](https://mdr.nims.go.jp/datasets/db64c2eb-1d36-4b9b-8491-007c13cf4d26)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "C2/m"  number: 12  Hall_symbol: "-C 2y"primitive_matrix:- [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [ -0.500000000000000,  0.500000000000000,  0.000000000000000 ]- [  0.000000000000000,  0.000000000000000,  1.000000000000000 ]supercell_matrix:- [   2,   0,   0 ]- [   0,   3,   0 ]- [   0,   0,   3 ]primitive_cell:  lattice:  - [     5.888539780000000,    -2.060004990000000,     0.132825790000000 ] # a  - [     5.888539780000000,     2.060004990000000,     0.132825790000000 ] # b  - [    -1.676414730000000,     0.000000000000000,     4.145883010000000 ] # c  points:  - symbol: Se # 1    coordinates: [  0.347177570000000,  0.347177570000000,  0.366732160000000 ]    mass: 78.960000  - symbol: Se # 2    coordinates: [  0.652822430000000,  0.652822430000000,  0.633267840000000 ]    mass: 78.960000  - symbol: In # 3    coordinates: [  0.115090200000000,  0.115090200000000,  0.979001790000000 ]    mass: 114.818000  - symbol: In # 4    coordinates: [  0.884909800000000,  0.884909800000000,  0.020998210000000 ]    mass: 114.818000  reciprocal_lattice: # without 2pi  - [     0.084143229430638,    -0.242717858659168,     0.034023861480667 ] # a*  - [     0.084143229430638,     0.242717858659168,     0.034023861480667 ] # b*  - [    -0.005391561168184,    -0.000000000000000,     0.239023027193418 ] # c*unit_cell:  lattice:  - [    11.777079560000001,     0.000000000000000,     0.265651580000000 ] # a  - [     0.000000000000000,     4.120009980000000,     0.000000000000000 ] # b  - [    -1.676414730000000,     0.000000000000000,     4.145883010000000 ] # c  points:  - symbol: Se # 1    coordinates: [  0.347177570000000,  0.000000000000000,  0.366732160000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 2    coordinates: [  0.152822430000000,  0.500000000000000,  0.633267840000000 ]    mass: 78.960000    reduced_to: 2  - symbol: Se # 3    coordinates: [  0.847177570000000,  0.500000000000000,  0.366732160000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 4    coordinates: [  0.652822430000000,  0.000000000000000,  0.633267840000000 ]    mass: 78.960000    reduced_to: 2  - symbol: In # 5    coordinates: [  0.115090200000000,  0.000000000000000,  0.979001790000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 6    coordinates: [  0.384909800000000,  0.500000000000000,  0.020998210000000 ]    mass: 114.818000    reduced_to: 6  - symbol: In # 7    coordinates: [  0.615090200000000,  0.500000000000000,  0.979001790000000 ]    mass: 114.818000    reduced_to: 5  - symbol: In # 8    coordinates: [  0.884909800000000,  0.000000000000000,  0.020998210000000 ]    mass: 114.818000    reduced_to: 6supercell:  lattice:  - [    23.554159120000001,     0.000000000000000,     0.531303160000000 ] # a  - [     0.000000000000000,    12.360029940000000,     0.000000000000000 ] # b  - [    -5.029244190000000,     0.000000000000000,    12.437649030000001 ] # c  points:  - symbol: Se # 1    coordinates: [  0.173588785000000,  0.000000000000000,  0.122244053333333 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 2    coordinates: [  0.673588785000000,  0.000000000000000,  0.122244053333333 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 3    coordinates: [  0.173588785000000,  0.333333333333333,  0.122244053333333 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 4    coordinates: [  0.673588785000000,  0.333333333333333,  0.122244053333333 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 5    coordinates: [  0.173588785000000,  0.666666666666667,  0.122244053333333 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 6    coordinates: [  0.673588785000000,  0.666666666666667,  0.122244053333333 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 7    coordinates: [  0.173588785000000,  0.000000000000000,  0.455577386666667 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 8    coordinates: [  0.673588785000000,  0.000000000000000,  0.455577386666667 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 9    coordinates: [  0.173588785000000,  0.333333333333333,  0.455577386666667 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 10    coordinates: [  0.673588785000000,  0.333333333333333,  0.455577386666667 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 11    coordinates: [  0.173588785000000,  0.666666666666667,  0.455577386666667 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 12    coordinates: [  0.673588785000000,  0.666666666666667,  0.455577386666667 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 13    coordinates: [  0.173588785000000,  0.000000000000000,  0.788910720000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 14    coordinates: [  0.673588785000000,  0.000000000000000,  0.788910720000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 15    coordinates: [  0.173588785000000,  0.333333333333333,  0.788910720000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 16    coordinates: [  0.673588785000000,  0.333333333333333,  0.788910720000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 17    coordinates: [  0.173588785000000,  0.666666666666667,  0.788910720000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 18    coordinates: [  0.673588785000000,  0.666666666666667,  0.788910720000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 19    coordinates: [  0.076411215000000,  0.166666666666667,  0.211089280000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 20    coordinates: [  0.576411215000000,  0.166666666666667,  0.211089280000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 21    coordinates: [  0.076411215000000,  0.500000000000000,  0.211089280000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 22    coordinates: [  0.576411215000000,  0.500000000000000,  0.211089280000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 23    coordinates: [  0.076411215000000,  0.833333333333333,  0.211089280000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 24    coordinates: [  0.576411215000000,  0.833333333333333,  0.211089280000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 25    coordinates: [  0.076411215000000,  0.166666666666667,  0.544422613333333 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 26    coordinates: [  0.576411215000000,  0.166666666666667,  0.544422613333333 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 27    coordinates: [  0.076411215000000,  0.500000000000000,  0.544422613333333 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 28    coordinates: [  0.576411215000000,  0.500000000000000,  0.544422613333333 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 29    coordinates: [  0.076411215000000,  0.833333333333333,  0.544422613333333 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 30    coordinates: [  0.576411215000000,  0.833333333333333,  0.544422613333333 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 31    coordinates: [  0.076411215000000,  0.166666666666667,  0.877755946666667 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 32    coordinates: [  0.576411215000000,  0.166666666666667,  0.877755946666667 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 33    coordinates: [  0.076411215000000,  0.500000000000000,  0.877755946666667 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 34    coordinates: [  0.576411215000000,  0.500000000000000,  0.877755946666667 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 35    coordinates: [  0.076411215000000,  0.833333333333333,  0.877755946666667 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 36    coordinates: [  0.576411215000000,  0.833333333333333,  0.877755946666667 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 37    coordinates: [  0.423588785000000,  0.166666666666667,  0.122244053333333 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 38    coordinates: [  0.923588785000000,  0.166666666666667,  0.122244053333333 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 39    coordinates: [  0.423588785000000,  0.500000000000000,  0.122244053333333 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 40    coordinates: [  0.923588785000000,  0.500000000000000,  0.122244053333333 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 41    coordinates: [  0.423588785000000,  0.833333333333333,  0.122244053333333 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 42    coordinates: [  0.923588785000000,  0.833333333333333,  0.122244053333333 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 43    coordinates: [  0.423588785000000,  0.166666666666667,  0.455577386666667 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 44    coordinates: [  0.923588785000000,  0.166666666666667,  0.455577386666667 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 45    coordinates: [  0.423588785000000,  0.500000000000000,  0.455577386666667 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 46    coordinates: [  0.923588785000000,  0.500000000000000,  0.455577386666667 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 47    coordinates: [  0.423588785000000,  0.833333333333333,  0.455577386666667 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 48    coordinates: [  0.923588785000000,  0.833333333333333,  0.455577386666667 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 49    coordinates: [  0.423588785000000,  0.166666666666667,  0.788910720000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 50    coordinates: [  0.923588785000000,  0.166666666666667,  0.788910720000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 51    coordinates: [  0.423588785000000,  0.500000000000000,  0.788910720000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 52    coordinates: [  0.923588785000000,  0.500000000000000,  0.788910720000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 53    coordinates: [  0.423588785000000,  0.833333333333333,  0.788910720000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 54    coordinates: [  0.923588785000000,  0.833333333333333,  0.788910720000000 ]    mass: 78.960000    reduced_to: 1  - symbol: Se # 55    coordinates: [  0.326411215000000,  0.000000000000000,  0.211089280000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 56    coordinates: [  0.826411215000000,  0.000000000000000,  0.211089280000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 57    coordinates: [  0.326411215000000,  0.333333333333333,  0.211089280000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 58    coordinates: [  0.826411215000000,  0.333333333333333,  0.211089280000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 59    coordinates: [  0.326411215000000,  0.666666666666667,  0.211089280000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 60    coordinates: [  0.826411215000000,  0.666666666666667,  0.211089280000000 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 61    coordinates: [  0.326411215000000,  0.000000000000000,  0.544422613333333 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 62    coordinates: [  0.826411215000000,  0.000000000000000,  0.544422613333333 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 63    coordinates: [  0.326411215000000,  0.333333333333333,  0.544422613333333 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 64    coordinates: [  0.826411215000000,  0.333333333333333,  0.544422613333333 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 65    coordinates: [  0.326411215000000,  0.666666666666667,  0.544422613333333 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 66    coordinates: [  0.826411215000000,  0.666666666666667,  0.544422613333333 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 67    coordinates: [  0.326411215000000,  0.000000000000000,  0.877755946666667 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 68    coordinates: [  0.826411215000000,  0.000000000000000,  0.877755946666667 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 69    coordinates: [  0.326411215000000,  0.333333333333333,  0.877755946666667 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 70    coordinates: [  0.826411215000000,  0.333333333333333,  0.877755946666667 ]    mass: 78.960000    reduced_to: 19  - symbol: Se # 71    coordinates: [  0.326411215000000,  0.666666666666667,  0.877755946666667 ]    mass: 78.960000    reduced_to: 19  - 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